2-辛炔酸2-丙烯-1-基酯
TL;DR: 2-辛炔酸2-丙烯-1-基酯 (CAS 648950-15-6) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-辛炔酸2-丙烯-1-基酯
prop-2-enyl oct-2-ynoate
Also Known As: Allyl oct-2-ynoate, 2-Octynoic acid, 2-propen-1-yl ester, prop-2-enyl oct-2-ynoate, allyl oct - 2 - ynoate, 2-Octynoic acid, 2-propenyl ester
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 648950-15-6 |
|---|---|
| SMILES | CCCCCC#CC(=O)OCC=C |
| InChIKey | YJHAHRNANWIZTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-辛炔酸2-丙烯-1-基酯 (CAS 648950-15-6), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: prop-2-enyl oct-2-ynoate.
Chemical Property Profile of 2-辛炔酸2-丙烯-1-基酯
Property Insights of 2-辛炔酸2-丙烯-1-基酯
The XLogP value of 3.8 indicates that 2-辛炔酸2-丙烯-1-基酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-辛炔酸2-丙烯-1-基酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-辛炔酸2-丙烯-1-基酯 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-辛炔酸2-丙烯-1-基酯?
The CAS number of 2-辛炔酸2-丙烯-1-基酯 is 648950-15-6.
What is the molecular formula of 2-辛炔酸2-丙烯-1-基酯?
The molecular formula of 2-辛炔酸2-丙烯-1-基酯 is C11H16O2.
What is the molecular weight of 2-辛炔酸2-丙烯-1-基酯?
The molecular weight of 2-辛炔酸2-丙烯-1-基酯 is 180.12 g/mol.
Where can I buy 2-辛炔酸2-丙烯-1-基酯?
You can request a quote for 2-辛炔酸2-丙烯-1-基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-辛炔酸2-丙烯-1-基酯?
Yes, KEHONG BIO provides custom synthesis services for 2-辛炔酸2-丙烯-1-基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.